2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide

C17H20N2O3S — CID 75504546

IUPAC2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(OC2CCOC2)c1)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(15-3-2-8-23-15)10-19-17(20)13-4-6-18-16(9-13)22-14-5-7-21-11-14/h2-4,6,8-9,12,14H,5,7,10-11H2,1H3,(H,19,20)
InChIKeyOEPCCOAKYHBCRE-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.84
Rot. Bonds6

About 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide

2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide (PubChem CID 75504546) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
PubChem CID75504546
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(OC2CCOC2)c1)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(15-3-2-8-23-15)10-19-17(20)13-4-6-18-16(9-13)22-14-5-7-21-11-14/h2-4,6,8-9,12,14H,5,7,10-11H2,1H3,(H,19,20)
InChIKeyOEPCCOAKYHBCRE-UHFFFAOYSA-N
XLogP2.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-ethoxypyridine-3-carboxamide
CID 2079602
N-[(4-Ethoxyphenyl)methyl]-1-[3-(1H-pyrrol-1-YL)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 16011396
4-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-2-thiophenecarboxamide
CID 24982776
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 31816186
US9776991, Example 40
CID 135236110
US9856220, Example 230
CID 140606607
N-[(4-Propoxyphenyl)methyl]-1-[3-(1H-pyrrol-1-YL)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 16011390
N-{[4-(Propan-2-yloxy)phenyl]methyl}-1-[3-(1H-pyrrol-1-YL)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 16011392
N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
CID 34879291
5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37486558
3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 39503671
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-ethoxypyridine-3-carboxamide
CID 45875547

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide (CID 75504546) is 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide is CC(CNC(=O)c1ccnc(OC2CCOC2)c1)c1cccs1.
What is the InChIKey of 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The InChIKey is OEPCCOAKYHBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(15-3-2-8-23-15)10-19-17(20)13-4-6-18-16(9-13)22-14-5-7-21-11-14/h2-4,6,8-9,12,14H,5,7,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide?
2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 75504546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).